3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C18H23N3 — CID 65485060

IUPAC3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCN(CCc1ccccc1)c1nc2c(cc1CN)CCC2
InChIInChI=1S/C18H23N3/c1-21(11-10-14-6-3-2-4-7-14)18-16(13-19)12-15-8-5-9-17(15)20-18/h2-4,6-7,12H,5,8-11,13,19H2,1H3
InChIKeyZSHTVHGIIDGGHI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.71
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 65485060) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID65485060
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCN(CCc1ccccc1)c1nc2c(cc1CN)CCC2
InChIInChI=1S/C18H23N3/c1-21(11-10-14-6-3-2-4-7-14)18-16(13-19)12-15-8-5-9-17(15)20-18/h2-4,6-7,12H,5,8-11,13,19H2,1H3
InChIKeyZSHTVHGIIDGGHI-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 65485060) is 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CN(CCc1ccccc1)c1nc2c(cc1CN)CCC2.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is ZSHTVHGIIDGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-21(11-10-14-6-3-2-4-7-14)18-16(13-19)12-15-8-5-9-17(15)20-18/h2-4,6-7,12H,5,8-11,13,19H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 65485060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).